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Titolo:
Nonmetal-to-metal transition in Mg films on the Mo(112) surface
Autore:
Yakovkin, IN;
Indirizzi:
Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev 28, Ukraine Natl Acad Sci Ukraine Kiev Ukraine 28 st Phys, UA-03028 Kiev 28, Ukraine
Titolo Testata:
SURFACE SCIENCE
fascicolo: 1-2, volume: 488, anno: 2001,
pagine: 7 - 14
SICI:
0039-6028(20010801)488:1-2<7:NTIMFO>2.0.ZU;2-A
Fonte:
ISI
Lingua:
ENG
Soggetto:
CONSISTENT ELECTRONIC-STRUCTURE; PLANE-WAVE METHOD; THIN-FILMS; MERCURY ADSORPTION; BAND-STRUCTURE; OVERLAYERS; STATES; INTERRELATION; MONOLAYERS; NI(111);
Keywords:
density functional calculations; surface structure, morphology, roughness, and topography; alkaline earth metals; metallic surfaces;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
39
Recensione:
Indirizzi per estratti:
Indirizzo: Yakovkin, IN Natl Acad Sci Ukraine, Inst Phys, Prospect Nauki 46, UA-03028Kiev 28, Ukraine Natl Acad Sci Ukraine Prospect Nauki 46 Kiev Ukraine 28 aine
Citazione:
I.N. Yakovkin, "Nonmetal-to-metal transition in Mg films on the Mo(112) surface", SURF SCI, 488(1-2), 2001, pp. 7-14

Abstract

It has been observed in photoemission that increasing density of the adsorbed alkaline earth layers results in dramatic changes in the surface electronic structure. These changes are generally attributed to the nonmetal-to-metal transition in the films, which implies that at low coverages, the films can demonstrate quasi-dielectric behavior, while at near complete monolayer coverages, the overlayer attains metallic character. Presented are the results of self-consistent calculations (performed with the linearized augmented plane wave method for thin films) of the electronic structure of Mg layers, adsorbed on the Mo(112) surface, for two characteristic coverages: theta = 0.5, when the alkaline earth films are believed to be dielectric, andtheta = 1, when the films are metallic. The nonmetal-to-metal transition in Mg films is evident from changes in the dispersion of the calculated surface resonance bands, in good agreement with recent experiments. These results are compared with related calculations of free Mg monolayers, and the role of main approximations to the realistic models of adsorption systems is discussed as well. (C) 2001 Elsevier Science B.V. All rights reserved.

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Documento generato il 01/12/20 alle ore 21:36:32